SCHEMBL8513825

SCHEMBL8513825

CC(=O)C(N)C[C@H](N)c1ccnc(S(C)(=O)=O)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.37
CYP3A4 P08684 1/20 0.37
LARS1 Q9P2J5 3/20 0.34
PIK3C3 Q8NEB9 1/20 0.32
SYK P43405 1/20 0.31
KCNH2 Q12809 1/20 0.31
SCN10A Q9Y5Y9 1/20 0.30
KDM4D Q6B0I6 1/20 0.30
CIT O14578 1/20 0.30
ANPEP P15144 1/20 0.30
ENPEP Q07075 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3465668 0.81 CCR1 (0.35) CCR1CYP3A4PIK3C3KCNH2SCN10A
SCHEMBL3465658 0.81 CCR1 (0.33) CCR1CYP3A4
SCHEMBL3465531 0.81 CCR1 (0.33) CCR1CYP3A4
SCHEMBL3465964 0.81 CCR1 (0.33) CCR1CYP3A4
SCHEMBL3466110 0.81 CCR1 (0.36) CCR1CYP3A4LARS1PIK3C3SCN10A
SCHEMBL3439409 0.80 CCR1 (0.38) CCR1CYP3A4
SCHEMBL3465973 0.80 CCR1 (0.38) CCR1CYP3A4
SCHEMBL3465203 0.79 CCR1 (0.35) CCR1CYP3A4
SCHEMBL3465836 0.79 CCR1 (0.34) CCR1CYP3A4
Hydrochloric Acid SCHEMBL567868 0.79 CCR1 (0.37) CCR1CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 CCR1 1/4885CYP3A4 1429/4885LARS1 1174/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.